Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.1787    0.8637   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    0.4845   -1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    1.0858   -0.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384    0.6175   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    1.5160   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962    1.1643    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -0.1309    0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -1.0447    0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -0.6550    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852   -1.6758    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617    1.6436    0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1171    0.3947   -0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107   -0.3225   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    2.5275   -0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3189    1.8832    0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746   -0.3717    1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291   -2.0630    1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.9726   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668   -1.3407    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194   -2.6038    0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers